2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H15BrFN3O — CID 47057354

IUPAC2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H15BrFN3O/c1-21(10-12-8-13(18)5-6-15(12)19)11-14-9-17(23)22-7-3-2-4-16(22)20-14/h2-9H,10-11H2,1H3
InChIKeyBCWJCIMICQNCIU-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.23
Rot. Bonds4

About 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47057354) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47057354
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC Name2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H15BrFN3O/c1-21(10-12-8-13(18)5-6-15(12)19)11-14-9-17(23)22-7-3-2-4-16(22)20-14/h2-9H,10-11H2,1H3
InChIKeyBCWJCIMICQNCIU-UHFFFAOYSA-N
XLogP3.23
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47057354) is 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BCWJCIMICQNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c1-21(10-12-8-13(18)5-6-15(12)19)11-14-9-17(23)22-7-3-2-4-16(22)20-14/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47057354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).